4-(Benzyloxy)-5-methoxy-2-nitrobenzaldehyde

HCID 561363CAS 2426-84-8

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(C=O)c([N+](=O)[O-])cc1OCc1ccccc1
InChIKey: WKDLWHKMVQVRNO-UHFFFAOYSA-N
Molecular formula: C15H13NO5
Average molar mass: 287.27 g/mol
Monoisotopic mass: 287.07937252

Names & identifiers

Preferred name: 4-(Benzyloxy)-5-methoxy-2-nitrobenzaldehyde
IUPAC: 5-methoxy-2-nitro-4-phenylmethoxybenzaldehyde
English name: 4-(Benzyloxy)-5-methoxy-2-nitrobenzaldehyde
Molecular formula: C15H13NO5
Molecular weight: 287.27

Names & synonyms

4-(Benzyloxy)-5-methoxy-2-nitrobenzaldehyde2426-84-8DTXSID00340079RefChem:288551DTXCID70291160963-399-95-methoxy-2-nitro-4-phenylmethoxybenzaldehydeMFCD026293574-benzyloxy-5-methoxy-2-nitro-benzaldehydeOprea1_200122Oprea1_614756SCHEMBL158285

Show more names

Benzaldehyde, 5-methoxy-2-nitro-4-(phenylmethoxy)-4-(benzyloxy)-5-methoxy-2-nitrobenzaldehyde(SALTDATA: FREE)

SCHEMBL16539610STL182878AKOS000322096AS-8702SY0824154-benzyloxy-5-methoxy-2-nitrobenzaldehydeDB-046385CS-0117358

Database identifiers

CAS: 2426-84-8
PubChem CID: 561363
DTXSID: DTXSID00340079
EC Number: 963-399-9
Nikkaji: J498.627J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 350

Physicochemical properties

Melting point: 133 °C · 133 °C
Boiling point: 488 · 488.0±45.0 °C(Predicted)
Density: 1.296 · 1.296±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Light yellow to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2913000090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501